ethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine

C18H31N3 — CID 156867202

IUPACethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine
SMILESCC.CC.CCc1ccc(-c2cn(C(C)CN)cn2)cc1
InChIInChI=1S/C14H19N3.2C2H6/c1-3-12-4-6-13(7-5-12)14-9-17(10-16-14)11(2)8-15;2*1-2/h4-7,9-11H,3,8,15H2,1-2H3;2*1-2H3
InChIKeyVTLWJCGBGKNAGD-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.68
Rot. Bonds4

About ethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine

ethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine (PubChem CID 156867202) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is ethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Nameethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine
PubChem CID156867202
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Nameethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine
SMILESCC.CC.CCc1ccc(-c2cn(C(C)CN)cn2)cc1
InChIInChI=1S/C14H19N3.2C2H6/c1-3-12-4-6-13(7-5-12)14-9-17(10-16-14)11(2)8-15;2*1-2/h4-7,9-11H,3,8,15H2,1-2H3;2*1-2H3
InChIKeyVTLWJCGBGKNAGD-UHFFFAOYSA-N
XLogP4.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine?
The IUPAC name of ethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine (CID 156867202) is ethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for ethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for ethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine is CC.CC.CCc1ccc(-c2cn(C(C)CN)cn2)cc1.
What is the InChIKey of ethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine?
The InChIKey is VTLWJCGBGKNAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.2C2H6/c1-3-12-4-6-13(7-5-12)14-9-17(10-16-14)11(2)8-15;2*1-2/h4-7,9-11H,3,8,15H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine?
ethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 156867202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).